etavopivat , Pyruvate kinase isozymes R/L activator, CAS No.2245053-57-8, Pyruvate kinase isozymes R/L activator

Item Number

E610197

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SKU	Size	Availability	Price	Qty
E610197-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
E610197-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,870.90

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Basic Description

Synonyms	SCHEMBL20511240 \| WHO 11646 \| Etavopivat [USAN] \| MS-28351 \| FT4202 \| FT-4202 \| CS-0213556 \| EX-A6335 \| V4E0A9M44Q \| (S)-1-(5-((2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)sulfonyl)-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-3-hydroxy-2-phenylpropan
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	ACTIVATOR, ALLOSTERIC MODULATOR
Mechanism of action	Pyruvate kinase isozymes R/L activator

Names and Identifiers

IUPAC Name	(2S)-1-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-3-hydroxy-2-phenylpropan-1-one
INCHI	InChI=1S/C22H23N3O6S/c26-14-19(15-4-2-1-3-5-15)22(27)24-10-16-12-25(13-17(16)11-24)32(28,29)18-8-20-21(23-9-18)31-7-6-30-20/h1-5,8-9,19,26H,6-7,10-14H2/t19-/m1/s1
InChi Key	KZFFYEPYCVDOGE-LJQANCHMSA-N
Canonical SMILES	C1COc2c(O1)cc(cn2)S(=O)(=O)N1CC2=C(C1)CN(C2)C(=O)[C@H](CO)c1ccccc1
Isomeric SMILES	C1COC2=C(O1)C=C(C=N2)S(=O)(=O)N3CC4=C(C3)CN(C4)C(=O)[C@H](CO)C5=CC=CC=C5
PubChem CID	135338378
Molecular Weight	457.5

PubChem CID

CAS Registry No.

ChEMBL Ligand

References

1. Forsyth S, Schroeder P, Geib J, Vrishabhendra L, Konstantinidis DG, LaSalvia K, Ribadeneira MD, Wu E, Kelly P, Kalfa TA. (2022) Safety, Pharmacokinetics, and Pharmacodynamics of Etavopivat (FT-4202), an Allosteric Activator of Pyruvate Kinase-R, in Healthy Adults: A Randomized, Placebo-Controlled, Double-Blind, First-in-Human Phase 1 Trial.. Clin Pharmacol Drug Dev, 71 (13): (1755-70). [PMID:35019238] [10.1002/cpdd.1058]
2. Schroeder P, Fulzele K, Forsyth S, Ribadeneira MD, Guichard S, Wilker E, Marshall CG, Drake A, Fessler R, Konstantinidis DG et al.. (2022) Etavopivat, a Pyruvate Kinase Activator in Red Blood Cells, for the Treatment of Sickle Cell Disease.. J Pharmacol Exp Ther, 380 (3): (210-219). [PMID:35031585] [10.1021/op500134e]

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Basic Description